73Y

6-bromanyl-~{N}-[(9~{R})-4-quinolin-3-yl-9~{H}-fluoren-9-yl]-3~{H}-imidazo[4,5-b]pyridine-7-carboxamide

Created:	2016-08-22
Last modified:	2017-09-13

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1 entries where 73Y is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	54
Chiral Atom Count	1
Bond Count	60
Aromatic Bond Count	33

2D diagram of 73Y

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Chemical Component Summary
Name	6-bromanyl-~{N}-[(9~{R})-4-quinolin-3-yl-9~{H}-fluoren-9-yl]-3~{H}-imidazo[4,5-b]pyridine-7-carboxamide
Systematic Name (OpenEye OEToolkits)	6-bromanyl-~{N}-[(9~{R})-4-quinolin-3-yl-9~{H}-fluoren-9-yl]-3~{H}-imidazo[4,5-b]pyridine-7-carboxamide
Formula	C₂₉ H₁₈ Br N₅ O
Molecular Weight	532.39
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	Brc1cnc2[nH]cnc2c1C(=O)N[CH]3c4ccccc4c5c3cccc5c6cnc7ccccc7c6
SMILES	OpenEye OEToolkits	2.0.5	c1ccc2c(c1)cc(cn2)c3cccc4c3-c5ccccc5C4NC(=O)c6c(cnc7c6nc[nH]7)Br
Canonical SMILES	CACTVS	3.385	Brc1cnc2[nH]cnc2c1C(=O)N[C@@H]3c4ccccc4c5c3cccc5c6cnc7ccccc7c6
Canonical SMILES	OpenEye OEToolkits	2.0.5	c1ccc2c(c1)cc(cn2)c3cccc4c3-c5ccccc5[C@H]4NC(=O)c6c(cnc7c6nc[nH]7)Br
InChI	InChI	1.03	InChI=1S/C29H18BrN5O/c30-22-14-32-28-27(33-15-34-28)25(22)29(36)35-26-20-8-3-2-7-19(20)24-18(9-5-10-21(24)26)17-12-16-6-1-4-11-23(16)31-13-17/h1-15,26H,(H,35,36)(H,32,33,34)/t26-/m1/s1
InChIKey	InChI	1.03	RAMVCRWNNFBAKK-AREMUKBSSA-N

Related Resource References

Resource Name	Reference
PubChem	129900094

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.